4-cyclopropyl-N-[3-methyl-1-[1-(1-methyl-1,2,4-triazol-3-yl)cyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C18H19F3N8 — CID 135374628

IUPAC4-cyclopropyl-N-[3-methyl-1-[1-(1-methyl-1,2,4-triazol-3-yl)cyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn(C2(c3ncn(C)n3)CC2)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C18H19F3N8/c1-10-13(8-29(26-10)17(5-6-17)15-23-9-28(2)27-15)24-16-22-7-12(18(19,20)21)14(25-16)11-3-4-11/h7-9,11H,3-6H2,1-2H3,(H,22,24,25)
InChIKeyYJAHFRKLLFZTQM-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.29
Rot. Bonds5

About 4-cyclopropyl-N-[3-methyl-1-[1-(1-methyl-1,2,4-triazol-3-yl)cyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine

4-cyclopropyl-N-[3-methyl-1-[1-(1-methyl-1,2,4-triazol-3-yl)cyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 135374628) has the molecular formula C18H19F3N8 and a molecular weight of 404.40 g/mol. Its IUPAC name is 4-cyclopropyl-N-[3-methyl-1-[1-(1-methyl-1,2,4-triazol-3-yl)cyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-[3-methyl-1-[1-(1-methyl-1,2,4-triazol-3-yl)cyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID135374628
Molecular FormulaC18H19F3N8
Molecular Weight404.40 g/mol
Exact Mass404.17
IUPAC Name4-cyclopropyl-N-[3-methyl-1-[1-(1-methyl-1,2,4-triazol-3-yl)cyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn(C2(c3ncn(C)n3)CC2)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C18H19F3N8/c1-10-13(8-29(26-10)17(5-6-17)15-23-9-28(2)27-15)24-16-22-7-12(18(19,20)21)14(25-16)11-3-4-11/h7-9,11H,3-6H2,1-2H3,(H,22,24,25)
InChIKeyYJAHFRKLLFZTQM-UHFFFAOYSA-N
XLogP3.29
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-cyclopropyl-N-[3-methyl-1-[1-(1-methyl-1,2,4-triazol-3-yl)cyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[3-methyl-1-[1-(1-methyl-1,2,4-triazol-3-yl)cyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-[3-methyl-1-[1-(1-methyl-1,2,4-triazol-3-yl)cyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 135374628) is 4-cyclopropyl-N-[3-methyl-1-[1-(1-methyl-1,2,4-triazol-3-yl)cyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-[3-methyl-1-[1-(1-methyl-1,2,4-triazol-3-yl)cyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-[3-methyl-1-[1-(1-methyl-1,2,4-triazol-3-yl)cyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine is Cc1nn(C2(c3ncn(C)n3)CC2)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-N-[3-methyl-1-[1-(1-methyl-1,2,4-triazol-3-yl)cyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YJAHFRKLLFZTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N8/c1-10-13(8-29(26-10)17(5-6-17)15-23-9-28(2)27-15)24-16-22-7-12(18(19,20)21)14(25-16)11-3-4-11/h7-9,11H,3-6H2,1-2H3,(H,22,24,25).
What are the key properties of 4-cyclopropyl-N-[3-methyl-1-[1-(1-methyl-1,2,4-triazol-3-yl)cyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-cyclopropyl-N-[3-methyl-1-[1-(1-methyl-1,2,4-triazol-3-yl)cyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 404.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[3-methyl-1-[1-(1-methyl-1,2,4-triazol-3-yl)cyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 135374628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).